6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine

C15H21N5O2 — CID 167962187

IUPAC6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)ncn1
InChIInChI=1S/C15H21N5O2/c1-20-9-12(8-19-20)15-11(4-3-5-22-15)7-16-13-6-14(21-2)18-10-17-13/h6,8-11,15H,3-5,7H2,1-2H3,(H,16,17,18)/t11-,15+/m0/s1
InChIKeyMNDDWKHSLVSGRT-XHDPSFHLSA-N
MW303.37 g/mol
LogP1.80
Rot. Bonds5

About 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine

6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine (PubChem CID 167962187) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine
PubChem CID167962187
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)ncn1
InChIInChI=1S/C15H21N5O2/c1-20-9-12(8-19-20)15-11(4-3-5-22-15)7-16-13-6-14(21-2)18-10-17-13/h6,8-11,15H,3-5,7H2,1-2H3,(H,16,17,18)/t11-,15+/m0/s1
InChIKeyMNDDWKHSLVSGRT-XHDPSFHLSA-N
XLogP1.80
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine (CID 167962187) is 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine is COc1cc(NC[C@@H]2CCCO[C@H]2c2cnn(C)c2)ncn1.
What is the InChIKey of 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine?
The InChIKey is MNDDWKHSLVSGRT-XHDPSFHLSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20-9-12(8-19-20)15-11(4-3-5-22-15)7-16-13-6-14(21-2)18-10-17-13/h6,8-11,15H,3-5,7H2,1-2H3,(H,16,17,18)/t11-,15+/m0/s1.
What are the key properties of 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine?
6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine has a molecular weight of 303.37 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 167962187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).